SCHEMBL10099592

SCHEMBL10099592

COc1cccc(C(=O)NC2(C)CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
FAAH O00519 1/20 0.59
CNR2 P34972 1/20 0.59
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NAAA Q02083 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13753631 0.93 MEN1 (0.63) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL20069661 0.85 HCN1 (0.56) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL10099586 0.84 GPR132 (0.60) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL20147586 0.83 KMT2A (0.53) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL10099557 0.83 MEN1 (0.55) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL18059055 0.81 ALDH1A1 (0.60) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL18059071 0.79 ALDH1A1 (0.55) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL12023771 0.79 MEN1 (0.54) GAAALDH1A1KMT2AMEN1FAAH
SCHEMBL25903744 0.79 ANO1 (0.56) ALDH1A1KMT2ACNR2NPC1RAB9A
SCHEMBL10590807 0.79 CTSK (0.54) GAAALDH1A1KMT2AMEN1FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 GAA 136/4885ALDH1A1 912/4885KMT2A 3620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.